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Geometry for NH2CH2CN (Aminoacetonitrile) 1A' CS

1910171554
InChI=1S/C2H4N2/c3-1-2-4/h1,3H2 INChIKey=DFNYGALUNNFWKJ-UHFFFAOYSA-N

LSDA/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.4371 0.7173 0.0000   1.5491 0.4243 0.0000
C2 0.0000 0.8203 0.0000   0.5472 -0.6111 0.0000
C3 0.7201 -0.4514 0.0000   -0.8376 -0.1440 0.0000
N4 1.2356 -1.4996 0.0000   -1.9208 0.2930 0.0000
H5 -1.7826 0.2271 0.8293   1.4796 1.0199 0.8293
H6 -1.7826 0.2271 -0.8293   1.4796 1.0199 -0.8293
H7 0.3279 1.4043 0.8800   0.6925 -1.2649 0.8800
H8 0.3279 1.4043 -0.8800   0.6925 -1.2649 -0.8800
Atom - Atom Distances (Å)
  N1 C2 C3 N4 H5 H6 H7 H8
N1 1.4408 2.4534 3.4725 1.0234 1.0234 2.0885 2.0885
C2 1.4408 1.4614 2.6284 2.0536 2.0536 1.1059 1.1059
C3 2.4534 1.4614 1.1681 2.7224 2.7224 2.0909 2.0909
N4 3.4725 2.6284 1.1681 3.5748 3.5748 3.1672 3.1672
H5 1.0234 2.0536 2.7224 3.5748 1.6586 2.4171 2.9600
H6 1.0234 2.0536 2.7224 3.5748 1.6586 2.9600 2.4171
H7 2.0885 1.1059 2.0909 3.1672 2.4171 2.9600 1.7600
H8 2.0885 1.1059 2.0909 3.1672 2.9600 2.4171 1.7600
Maximum atom distance is 3.5748Å between atoms N4 and H5.
picture of Aminoacetonitrile
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C3 115.418 C2 C3 N4 176.669
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 109.480 N1 C2 H8 109.480
C2 N1 H5 111.776 C2 N1 H6 111.776
C3 C2 H7 108.268 C3 C2 H8 108.268
H5 N1 H6 108.260 H7 C2 H8 105.454

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.